Morphology simulations were performed using the Gromacs2019 [1]} simulation package. Lennard– Jones parameters were taken from the OPLS-AA[2]} force field with a scaling factor of \(0.5\)  for the \(1–4\)  interactions. The SPC/E model [3]} was used for water. Long-range electrostatic interactions were treated using a smooth particle mesh Ewald technique[4]} with a cut-off of 1.2. Bond vibrations were constrained with a LINCS [5]} algorithm. All calculations were performed in the NVT ensemble using the canonical velocity-rescaling thermostat, as implemented in the Gromacs2019 simulation package.
